Vitas-M small molecule compound
3-{4-[(5E)-5-(4-butoxybenzylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl}propanenitrile
Catalog ID
STK545691
SMILES CCCCOc1ccc(cc1)/C=C\1/SC(=NC1=O)N1CCN(CC1)CCC#N
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H26N4O2S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O2S/c1-2-3-15-27-18-7-5-17(6-8-18)16-19-20(26)23-21(28-19)25-13-11-24(12-14-25)10-4-9-22/h5-8,16H,2-4,10-15H2,1H3/b19-16+InChIKey
UVSOMKNCWRXTJA-KNTRCKAVSA-NSynonyms
797771-11-0(E)3(4(5(4butoxybenzylidene)4oxo45dihydrothiazol2yl)piperazin1yl)propanenitrile
3(4((5E)5((4BUTOXYPHENYL)METHYLIDENE)4OXO13THIAZOL2YL)PIPERAZIN1YL)PROPANENITRILE
3(4((5E)5(4butoxybenzylidene)4oxo45dihydro13thiazol2yl)piperazin1yl)propanenitrile
797771110
CCCCOC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CCN(CC3)CCC#N
CCCCOc1ccc(cc1)C=C1SC(=NC1=O)N1CCN(CC1)CCC#N
InChI=1SC21H26N4O2Sc1231527187517(6818)161920(26)2321(2819)25131124(121425)104922h5816H241015H21H3b1916+
MFCD03665793
ZINC000020149890
ZINC20149890
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